4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol

C19H21Cl2NO — CID 3061914

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol
SMILESCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2NO/c1-2-3-4-7-12-22-19(15-8-5-6-9-17(15)21)16-13-14(20)10-11-18(16)23/h5-6,8-11,13,23H,2-4,7,12H2,1H3/b22-19+
InChIKeyMXQCDPGEIVEAGU-ZBJSNUHESA-N
MW350.29 g/mol
LogP6.12
Rot. Bonds7

About 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol (PubChem CID 3061914) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol
PubChem CID3061914
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol
SMILESCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2NO/c1-2-3-4-7-12-22-19(15-8-5-6-9-17(15)21)16-13-14(20)10-11-18(16)23/h5-6,8-11,13,23H,2-4,7,12H2,1H3/b22-19+
InChIKeyMXQCDPGEIVEAGU-ZBJSNUHESA-N
XLogP6.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol (CID 3061914) is 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol is CCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol?
The InChIKey is MXQCDPGEIVEAGU-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-2-3-4-7-12-22-19(15-8-5-6-9-17(15)21)16-13-14(20)10-11-18(16)23/h5-6,8-11,13,23H,2-4,7,12H2,1H3/b22-19+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol has a molecular weight of 350.29 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol is sourced from PubChem (CID 3061914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).